3-(2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | Y512-5201 |
| Compound Name: | 3-(2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C16 H12 N4 O3 S2 |
| Smiles: | C(C(Nc1cccc(c1)C(O)=O)=O)Sc1nnc(c2ccncc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.907 |
| logD: | 0.0211 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.55 |
| InChI Key: | ZNECXFWQHCBOMN-UHFFFAOYSA-N |